calc_hep_bioavailability: Calculate first pass heaptic metabolism

In httk: High-Throughput Toxicokinetics

Calculate first pass heaptic metabolism

Description

For models that don't described first pass blood flow from the gut, need to cacluate a hepatic bioavailability, that is, the fraction of chemical systemically available after metabolism during the first pass through the liver (Rowland, 1973 Equation 29, where k21 is blood flow through the liver and k23 is clearance from the liver in Figure 1 in that paper).

Usage

calc_hep_bioavailability(
  chem.cas = NULL,
  chem.name = NULL,
  dtxsid = NULL,
  parameters = NULL,
  restrictive.clearance = TRUE,
  flow.34 = TRUE,
  suppress.messages = FALSE,
  species = "Human"
)

Arguments

chem.cas	Chemical Abstract Services Registry Number (CAS-RN) – if parameters is not specified then the chemical must be identified by either CAS, name, or DTXISD
chem.name	Chemical name (spaces and capitalization ignored) – if parameters is not specified then the chemical must be identified by either CAS, name, or DTXISD
dtxsid	EPA's 'DSSTox Structure ID (https://comptox.epa.gov/dashboard) – if parameters is not specified then the chemical must be identified by either CAS, name, or DTXSIDs
parameters	Parameters from the appropriate parameterization function for the model indicated by argument model
restrictive.clearance	Protein binding not taken into account (set to 1) in liver clearance if FALSE.
flow.34	A logical constraint
suppress.messages	Whether or not to suppress the output message.
species	Species desired (either "Rat", "Rabbit", "Dog", "Mouse", or default "Human").

Value

A data.table whose columns are the parameters of the HTTK model specified in model.

Author(s)

John Wambaugh

References

Rowland, Malcolm, Leslie Z. Benet, and Garry G. Graham. \insertRefrowland1973clearancehttk

httk documentation built on Sept. 11, 2024, 9:32 p.m.